Searched refs:ngloc (Results 1 – 5 of 5) sorted by relevance
/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | EnergyFunctional.cpp | 105 vps[is].resize(ngloc); in EnergyFunctional() 106 dvps[is].resize(ngloc); in EnergyFunctional() 107 rhops[is].resize(ngloc); in EnergyFunctional() 123 vlocal_g.resize(ngloc); in EnergyFunctional() 124 vtemp.resize(ngloc); in EnergyFunctional() 125 rhoelg.resize(ngloc); in EnergyFunctional() 126 rhogt.resize(ngloc); in EnergyFunctional() 127 rhopst.resize(ngloc); in EnergyFunctional() 157 vxc_g.resize(ngloc); in EnergyFunctional() 297 int len=2*ngloc,inc1=1; in update_vhxc() [all …]
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H A D | ExchangeOperator.cpp | 90 const int ngloc = vbasis_->localsize(); in ExchangeOperator() local 97 rhog1_.resize(ngloc); in ExchangeOperator() 98 rhog2_.resize(ngloc); in ExchangeOperator() 107 int_pot1_.resize(ngloc); in ExchangeOperator() 108 int_pot2_.resize(ngloc); in ExchangeOperator() 520 for ( int ig = 0; ig < ngloc; ig++ ) in compute_exchange_for_general_case_() 522 D3vector G(vbasis_->gx(ig+ngloc*0), in compute_exchange_for_general_case_() 523 vbasis_->gx(ig+ngloc*1), in compute_exchange_for_general_case_() 1393 const int ngloc = vbasis_->localsize(); in compute_exchange_at_gamma_() local 1409 for ( int ig = 0; ig < ngloc; ig++ ) in compute_exchange_at_gamma_() [all …]
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H A D | PartialChargeCmd.cpp | 155 const int ngloc = cd.rhog[0].size(); in action() local 160 for ( int ig = igstart; ig < ngloc; ig++ ) in action()
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H A D | BOSampleStepper.cpp | 105 const int ngloc = vbasis->localsize(); in initialize_density() local 109 vector<complex<double> > rhopst(ngloc); in initialize_density() 114 rhops[is].resize(ngloc); in initialize_density() 120 for ( int ig = 0; ig < ngloc; ig++ ) in initialize_density() 136 memset( (void*)&rhopst[0], 0, 2*ngloc*sizeof(double) ); in initialize_density() 140 for ( int ig = 0; ig < ngloc; ig++ ) in initialize_density()
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | symme.f90 | 524 INTEGER :: np, ig, ngloc, ngpos, ierr, ngm_ local 543 ngloc=0 546 ngloc = ngloc+1 548 IF ( ngloc < 1 ) CALL infomsg('sym_rho_init', & 550 sendcnt(np) = ngloc 551 ngpos = ngpos + ngloc
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